Geometry & MOs

Info

ID:	228420
PubChem CID:	87564336
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	6.61
Dipole, Da:	5.39
IP(EA), eV:	-7.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3E)-3-[4-[4-[[2-(dimethylamino)acetyl]-methylamino]anilino]butylidene]-2-oxo-1H-indole-6-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(N=C(C=C3)C4CC4)OC

DOS

IR

Vibrations